Tm3Be5Pt6
Alexandria ALEXAlex-ID: agm005702009 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_6_spg59
Tm(BePt)2 TmBe2Pt3 TmPt
2023-06-30 07:20:23.941891
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702009).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005702009
data_agm005702009
_cell_length_a 3.92654
_cell_length_b 8.85222
_cell_length_c 12.24218
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 425.52125
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1 Tm 0.00000 0.24872 0.69870 1.00000
Tm2 Tm 0.50000 0.75128 0.19870 1.00000
Tm3 Tm 0.50000 0.75128 0.80130 1.00000
Tm4 Tm 0.00000 0.25726 0.00000 1.00000
Tm5 Tm 0.50000 0.74274 0.50000 1.00000
Tm6 Tm 0.00000 0.24872 0.30130 1.00000
Be1 Be 0.00000 0.53977 0.88243 1.00000
Be2 Be 0.00000 0.87247 0.65439 1.00000
Be3 Be 0.00000 0.80380 0.00000 1.00000
Be4 Be 0.50000 0.46023 0.61757 1.00000
Be5 Be 0.50000 0.19620 0.50000 1.00000
Be6 Be 0.00000 0.53977 0.11757 1.00000
Be7 Be 0.50000 0.46023 0.38243 1.00000
Be8 Be 0.00000 0.87247 0.34561 1.00000
Be9 Be 0.50000 0.12753 0.84561 1.00000
Be10 Be 0.50000 0.12753 0.15439 1.00000
Pt1 Pt 0.00000 0.98743 0.83697 1.00000
Pt2 Pt 0.50000 0.01257 0.66303 1.00000
Pt3 Pt 0.50000 0.39944 0.81965 1.00000
Pt4 Pt 0.50000 0.59765 0.00000 1.00000
Pt5 Pt 0.00000 0.40235 0.50000 1.00000
Pt6 Pt 0.00000 0.60056 0.68035 1.00000
Pt7 Pt 0.00000 0.60056 0.31965 1.00000
Pt8 Pt 0.50000 0.96774 0.00000 1.00000
Pt9 Pt 0.00000 0.98743 0.16303 1.00000
Pt10 Pt 0.50000 0.39944 0.18035 1.00000
Pt11 Pt 0.00000 0.03226 0.50000 1.00000
Pt12 Pt 0.50000 0.01257 0.33697 1.00000
